9H-Xanthen-9-ol
Xanthydrol
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Grundinformationen
- CAS
90-46-0- Standard-SMILES
OC1c2ccccc2Oc2ccccc21- InChIKey
JFRMYMMIJXLMBB-UHFFFAOYSA-N- Summenformel
- C13H10O2
- Durchschnittliche Molmasse
- 198,22 g/mol
- Monoisotopische Masse
- 198,06807956
Überblick
xanthydrol has been reported in Xanthium spinosum and Xanthium strumarium with data available.
Namen und Bezeichner
- Bevorzugter Name
- Xanthydrol
- IUPAC
- 9H-xanthen-9-ol
- Lokaler Name
- 9H-Xanthen-9-ol
- Englischer Name
- 9-Hydroxyxanthene
- Summenformel
- C13H10O2
- Molmasse
- 198.22
Namen und Synonyme
9-HydroxyxantheneXanthydrol9H-Xanthen-9-ol90-46-0Xanthen-9-ol9-Xanthydrol7131M69IKFNSC-4038DTXSID8059009RefChem:902268DTXCID9048691201-996-1
Weitere Namen anzeigen
Xanthene-9-OLXANTHYDROL(RG)Xanthydrol 98%
Xanthanol9-XanthenolXanthene, hydroxy-MFCD00005057CHEMBL5204890CCRIS 1640NSC 4038EINECS 201-996-1
Datenbank-Bezeichner
- CAS
90-46-0- PubChem CID
- 72861
- DTXSID
DTXSID8059009- ChEMBL
CHEMBL5204890- UNII
- 7131M69IKF
- EC Number
- 201-996-1
- Nikkaji
- J4.318D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 207
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Other Aromatic Compounds
SpringerMaterials PropertiesChemical shift
Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 122 · 122-124 °C
- Siedepunkt
- 275.53 °C · 275.53°C (rough estimate)
- Dichte
- 0.83 g/mL · 0.83 g/mL at 20 °C
- Brechungsindex
- 1.662 · 1.6620 (estimate)
- Flammpunkt
- 11 °C · 11 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- pka
- 13.57 · 13.57±0.20(Predicted)
- Aggregatzustand
- Crystalline Powder
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: 9H-Xanthen-9-ol
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Sicherheitsdaten
- F
- 8-10-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1230 3/PG 2
- hs_code
- 29329990
- RTECS-Nr.
- ZD5710000
- risk_code
- 11-23/24/25-39/23/24/25-40
- hazard_code
- F,T,Xi,Xn
- hazard_note
- Irritant
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information9H-Xanthen-9-ol: INACTIVE
Anwendungen
Verwenden9-Hydroxyxanthene is an Intermediate in the preparation of Propantheline Bromide. It is useful in tests for urea also used in the protection of thiols as their S-xanthenyl (Xan) thioethers, by reaction in the presence of TFA.
Darstellung
synthetischesynthesis of xanthydrol: The amalgam sodium in dry toluene was warmed to 50°C, the xanthone-ethanol suspension was added, and the temperature was rapidly raised to 60-70°C with vigorous stirring. After the reaction is completed, the mercury is separated. The reaction solution was filtered, the filtrate was poured into the stirred blue distilled water, the 9-hydroxyxanthene was filtered out, washed with water, and dried to obtain the finished product with a yield of 91-95%.
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